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MedKoo CAT#: 598022
CAS#: 93768-49-1
Description: I5B2 is a new phosphorus containing inhibitor of angiotensin I converting enzyme produced by Actinomadura sp.
MedKoo Cat#: 598022
Name: I5B2
CAS#: 93768-49-1
Chemical Formula: C23H32N3O7P
Exact Mass: 493.1978
Molecular Weight: 493.49
Elemental Analysis: C, 55.98; H, 6.54; N, 8.51; O, 22.69; P, 6.28
Synonym: I5B2; I5-B2; I5 B2;
IUPAC/Chemical Name: (1-((S)-N-((S)-1-amino-3-(4-hydroxyphenyl)-1-oxopropan-2-yl)-3-methyl-2-(methylamino)butanamido)-2-(4-hydroxyphenyl)ethyl)phosphonic acid
InChi Key: CRLOMAVMOUQSOO-YSTUSHMSSA-N
InChi Code: InChI=1S/C23H32N3O7P/c1-14(2)21(25-3)23(30)26(19(22(24)29)12-15-4-8-17(27)9-5-15)20(34(31,32)33)13-16-6-10-18(28)11-7-16/h4-11,14,19-21,25,27-28H,12-13H2,1-3H3,(H2,24,29)(H2,31,32,33)/t19-,20?,21-/m0/s1
SMILES Code: OC1=CC=C(C=C1)C[C@@H](C(N)=O)N(C([C@H](C(C)C)NC)=O)C(P(O)(O)=O)CC2=CC=C(O)C=C2
1: Kido Y, Hamakado T, Anno M, Miyagawa E, Motoki Y, Wakamiya T, Shiba T. Isolation and characterization of I5B2, a new phosphorus containing inhibitor of angiotensin I converting enzyme produced by Actinomadura sp. J Antibiot (Tokyo). 1984 Sep;37(9):965-9. PubMed PMID: 6094415.